4-[[(4-methylphenyl)-sulfanyl-carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[(4-methylphenyl)-sulfanyl-carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[p-tolyl(sulfanyl)carbamoyl]amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(N-mercapto-4-methylanilino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[[(4-methylphenyl)-sulfanylcarbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(p-tolyl)carbamoyl]amino]butyl ester Formula: C27H30N4O6S2 MolecularWeight: 570.6803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=O)NCCCCOC(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)S

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=O)NCCCCOC(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)S

InChI

InChI=1S/C27H30N4O6S2/c1-19-5-13-23(14-6-19)31(38)27(34)28-17-3-4-18-37-25(32)21-9-11-22(12-10-21)29-26(33)30-39(35,36)24-15-7-20(2)8-16-24/h5-16,38H,3-4,17-18H2,1-2H3,(H,28,34)(H2,29,30,33)